DockMetrics
MOLECULAR DOCKING Inhibition Efficiency Index (IEI) and Selectivity Entropy Index (SEI)

Docking Result

CHEMBL1688420_dpp4

Atoms: 252
Models: 9
Best Energy: -7.314 kcal/mol

Binding Energies:
  • Pose 1: -7.314 kcal/mol
  • Pose 2: -7.204 kcal/mol
  • Pose 3: -7.197 kcal/mol
  • Pose 4: -6.955 kcal/mol
  • Pose 5: -6.888 kcal/mol
  • Pose 6: -6.791 kcal/mol
  • Pose 7: -6.777 kcal/mol
  • Pose 8: -6.592 kcal/mol
  • Pose 9: -6.545 kcal/mol
CHEMBL1688420_dpp4
Energy Plot
RMSD Scatter Plot